6YOJ
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-12-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.525, 48.396, 129.325 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.330 - 1.361 |
| R-factor | 0.1719 |
| Rwork | 0.171 |
| R-free | 0.19840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gu6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7 (19-MAR-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.330 | 1.442 |
| High resolution limit [Å] | 1.361 | 1.361 |
| Rmeas | 0.090 | |
| Number of reflections | 360917 | 2385 |
| <I/σ(I)> | 16 | |
| Completeness [%] | 89.8 | |
| Redundancy | 7.6 | |
| CC(1/2) | 0.999 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG 3350, 0.1 M TRIS, pH 8.6 |
